SCHEMBL5645893

SCHEMBL5645893

NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.64
CTSL P07711 1/20 0.61
CTSB P07858 1/20 0.61
CTSS P25774 1/20 0.61
PSMB8 P28062 1/20 0.58
PSMB5 P28074 1/20 0.58
HPGDS O60760 3/20 0.56
CNR2 P34972 3/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
PTPN2 P17706 2/20 0.55
PTPRA P18433 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
FCER2 P06734 2/20 0.53
MMP1 P03956 1/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
CHRNB1 P11230 1/20 0.53
CHRND Q07001 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3956755 1.00 PTPN1 (0.64) PTPN1CTSLCTSBCTSSPSMB8
SCHEMBL14611741 0.87 CTSL (0.65) CTSLCTSBCTSSPSMB8PSMB5
SCHEMBL1329813 0.87 CTSC (0.59) PTPN1HPGDSFCER2MMP1
SCHEMBL13649440 0.87 HPGDS (0.56) PTPN1HPGDSFCER2MMP1
SCHEMBL1329814 0.87 CTSC (0.59) PTPN1HPGDSFCER2MMP1
SCHEMBL15083422 0.87 HPGDS (0.56) PTPN1HPGDSFCER2MMP1
SCHEMBL10504767 0.86 ITGB3 (0.65) CTSLCTSBCTSSPSMB8PSMB5
SCHEMBL4144665 0.86 ITGB3 (0.65) CTSLCTSBCTSSPSMB8PSMB5
SCHEMBL4144668 0.86 ITGB3 (0.65) CTSLCTSBCTSSPSMB8PSMB5
SCHEMBL2171623 0.85 PTPN1 (0.57) PTPN1CTSLCTSBCTSSCNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414783-B1 METHOD FOR THE PRODUCTION OF AMINES BY REDUCTIVE AMINATION OF CARBONYL COMPOUNDS UNDER TRANSFER-HYDROGENATION CONDITIONS EVONIK DEGUSSA GMBH (DE) 2009-07-15 EP disclosed
US-7230134-B2 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions DEGUSSA AG (DE) 2007-06-12 US disclosed
US-7230134-B2 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions DEGUSSA AG (DE) 2007-06-12 US disclosed
US-7230134-B2 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions DEGUSSA AG (DE) 2007-06-12 US disclosed
US-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions EVONIK DEGUSSA GMBH (DE) 2004-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions HNMT, AADAT, ADH5 PTPN1 4877/4885CTSL 4461/4885CTSB 3146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.